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#$Date: 2018-06-09 19:39:53 +0300 (Sat, 09 Jun 2018) $
#$Revision: 208239 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539861.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1539861
loop_
_publ_author_name
'Currie, D.B.'
'Weller, M.T.'
'Lanchester, P.C.'
'Walia, R.'
_publ_section_title
;
 Superconductivity and crystal structure of Ln2Ba4Cu7O14+d (Ln= Er, Y, Ho,
 Dy, Nd). A high-resolution powder neutrondiffraction study
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              43
_journal_page_last               50
_journal_volume                  224
_journal_year                    1994
_chemical_formula_sum            'Ba4 Cu6.78 Nd2 O14.85'
_chemical_name_systematic        'Nd2 Ba4 Cu6.78 O14.85'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_Hall           '-A 2 2'
_space_group_name_H-M_alt        'A m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.89385
_cell_length_b                   3.90132
_cell_length_c                   50.79012
_cell_volume                     771.561
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Currie_PHYCE6_1994_1734.cif
_cod_data_source_block           Ba4Cu6.78Nd2O14.85
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-10
;
_cod_original_cell_volume        771.5606
_cod_original_sg_symbol_Hall     '-C 2 2 (z,x,y)'
_cod_database_code               1539861
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 -x,-y,-z
6 -x,y,z
7 x,-y,z
8 x,y,-z
9 x,y+1/2,z+1/2
10 x,-y+1/2,-z+1/2
11 -x,y+1/2,-z+1/2
12 -x,-y+1/2,z+1/2
13 -x,-y+1/2,-z+1/2
14 -x,y+1/2,z+1/2
15 x,-y+1/2,z+1/2
16 x,y+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cu3 Cu+2 0 0 0.15031 1 0.0
O5 O-2 0 0.5 0.14546 1 0.0
Ba1 Ba+2 0.5 0.5 0.04335 1 0.0
O9 O-2 0.5 0 0 0.46 0.0
O4 O-2 0.5 0 0.14573 1 0.0
Ba2 Ba+2 0.5 0.5 0.18865 1 0.0
Cu2 Cu+2 0 0 0.08182 1 0.0
Cu1 Cu+2 0 0 0 0.78 0.0
O7 O-2 0 0.5 0.23314 1 0.0
O2 O-2 0.5 0 0.08436 1 0.0
O6 O-2 0 0 0.19398 1 0.0
O8 O-2 0 0.5 0 0.37 0.0
Nd1 Nd+3 0.5 0.5 0.1156 1 0.0
O3 O-2 0 0.5 0.08447 1 0.0
O1 O-2 0 0 0.03649 1 0.0
Cu4 Cu+2 0 0 0.23055 1 0.0